SCHEMBL771041

SCHEMBL771041

O=C(CCCCNC(=S)NC(c1ccccc1)c1ccccc1)N1CCC2CCCC=C2C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.44
MAOB P27338 2/20 0.44
XIAP P98170 9/20 0.39
BIRC3 Q13489 9/20 0.39
BIRC2 Q13490 9/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
TACR1 P25103 3/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PREP P48147 1/20 0.34
CACNA1G O43497 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL770629 0.88 TACR1 (0.38) KDM1AMAOBXIAPBIRC3BIRC2
SCHEMBL770013 0.86 ALDH1A1 (0.43) SMN1; SMN2ALDH1A1LMNAMAPTHPGD
SCHEMBL770425 0.82 KDM1A (0.46) KDM1AMAOBXIAPBIRC3BIRC2
SCHEMBL772452 0.81 KMT2A (0.40) SMN1; SMN2LMNA
SCHEMBL787100 0.81 RAB9A (0.34) ALDH1A1LMNAHTT
SCHEMBL771786 0.81 KMT2A (0.41) SMN1; SMN2LMNA
SCHEMBL771107 0.80 ADAMTS4 (0.36) CACNA1G
SCHEMBL770861 0.79 EPHX1 (0.38) LMNA
SCHEMBL15377462 0.79 EPHX2 (0.49) ALDH1A1
SCHEMBL771040 0.79 KDM1A (0.48) KDM1AMAOBXIAPBIRC3BIRC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KDM1A 2065/4885MAOB 1576/4885XIAP 2041/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KDM1A 2083/4885MAOB 1581/4885XIAP 2032/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.